Detailed information for compound 1556212

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.841 | Formula: C21H18ClN3
  • H donors: 2 H acceptors: 0 LogP: 5.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc2c(c1)[nH]c(c2)c1ccc(cc1)c1ccccc1.Cl
  • InChi: 1S/C21H17N3.ClH/c22-21(23)18-11-10-17-12-19(24-20(17)13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-13,24H,(H3,22,23);1H
  • InChiKey: XHRKPGUWSFXYAI-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium tuberculosis Polyketide synthase Pks12 0.1156 0.5508 0.6991
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.1156 0.5508 0.6981
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0782 0.3655 0.4599
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0273 0.1136 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0081 0.0185 0.0192
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0093 0.0259
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0433 0.1926 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0907 0.4275 0.5384
Schistosoma mansoni hypothetical protein 0.0663 0.3067 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0051 0.0035
Mycobacterium ulcerans polyketide synthase Pks9 0.072 0.3348 0.4201
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0068 0.0118 0.0032
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0273 0.1136 1
Loa Loa (eye worm) hypothetical protein 0.1828 0.8838 1
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0273 0.1136 0.7938
Mycobacterium ulcerans dehydrogenase 0.0068 0.0118 0.0032
Toxoplasma gondii acyl carrier protein ACP 0.011 0.0328 0.0531
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0115 0.0168
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.1088 0.5174 0.5149
Schistosoma mansoni zinc binding dehydrogenase 0.0068 0.0118 0.034
Schistosoma mansoni [ACP] S-malonyltransferase 0.0069 0.0124 0.0358
Mycobacterium ulcerans polyketide synthase 0.1156 0.5508 0.6991
Brugia malayi mbt repeat family protein 0.0108 0.0317 0.0267
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.011 0.0328 0.0278
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0037 0.0084
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0266 0.11 0.13
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0115 0.0331
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0093 0.0377
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0068 0.0118 0.0032
Mycobacterium ulcerans acyl-CoA synthetase 0.011 0.0328 0.0303
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0149 0.0441
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0068 0.0118 0.059
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0134
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.1055 0.5008 0.6345
Leishmania major acyl carrier protein, putative 0.011 0.0328 0.1785
Loa Loa (eye worm) hypothetical protein 0.0167 0.061 0.069
Mycobacterium ulcerans hypothetical protein 0.011 0.0328 0.0303
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0167 0.061 0.0667
Mycobacterium ulcerans NADP-dependent oxidoreductase 0.0068 0.0118 0.0032
Mycobacterium ulcerans thioesterase TesA 0.0907 0.4275 0.5398
Onchocerca volvulus 0.0108 0.0317 0.0212
Echinococcus multilocularis geminin 0.0183 0.0688 0.0779
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0069 0.0124 0.0039
Leishmania major quinone oxidoreductase, putative 0.0068 0.0118 0.019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0115 0.0028
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.0128 0.0124
Onchocerca volvulus 0.1017 0.4819 0.5011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0051 0.0121
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1088 0.5174 0.6559
Mycobacterium ulcerans Type I modular polyketide synthase 0.1088 0.5174 0.6559
Loa Loa (eye worm) hypothetical protein 0.0069 0.0124 0.014
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1088 0.5174 0.6559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0051 0.0121
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.011 0.0328 0.0278
Leishmania major hypothetical protein, conserved 0.0069 0.0124 0.0231
Loa Loa (eye worm) AMP-binding enzyme family protein 0.1017 0.4819 0.5453
Loa Loa (eye worm) hypothetical protein 0.0087 0.0213 0.0241
Echinococcus granulosus snurportin 1 0.0336 0.1446 0.7482
Leishmania major nuclear receptor binding factor-like protein 0.0068 0.0118 0.019
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0342 0.1476 0.1786
Leishmania major oxidoreductase-like protein 0.0068 0.0118 0.019
Loa Loa (eye worm) hypothetical protein 0.0096 0.0258 0.0292
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0069 0.0124 0.0537
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0071 0.0134 0.0131
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.016 0.0577 0.4475
Echinococcus granulosus histone lysine methyltransferase setb 0.0071 0.0134 0.0589
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0068 0.0118 0.0032
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1156 0.5508 0.6991
Leishmania major oxidoreductase, putative 0.0068 0.0118 0.019
Echinococcus multilocularis histone acetyltransferase MYST2 0.0123 0.0391 0.0432
Loa Loa (eye worm) hypothetical protein 0.0108 0.0317 0.0359
Echinococcus multilocularis SAM and MBT domain containing protein 0.0108 0.0317 0.0346
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0081 0.0185 0.0862
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0051 0.0121
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0273 0.1136 0.1346
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0068 0.0118 0.0032
Mycobacterium leprae Probable polyketide synthase Pks1 0.1156 0.5508 0.6981
Loa Loa (eye worm) hypothetical protein 0.0123 0.0391 0.0442
Loa Loa (eye worm) hypothetical protein 0.016 0.0575 0.065
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0072 0.0082
Loa Loa (eye worm) acyl carrier protein 0.011 0.0328 0.0371
Schistosoma mansoni hypothetical protein 0.0183 0.0688 0.2206
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0071 0.0134 0.0391
Loa Loa (eye worm) acyl carrier protein 0.05 0.2262 0.2559
Mycobacterium ulcerans quinone oxidoreductase 0.0068 0.0118 0.0032
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.011 0.0328 0.0303
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.1017 0.4819 0.6101
Toxoplasma gondii acyl transferase domain-containing protein 0.0069 0.0124 0.0158
Schistosoma mansoni bromodomain containing protein 0.0147 0.051 0.1625
Brugia malayi RNA, U transporter 1 0.0089 0.0226 0.0176
Echinococcus granulosus SAM and MBT domain containing protein 0.0108 0.0317 0.1553
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0115 0.011
Schistosoma mansoni zinc finger protein 0.0048 0.0021 0.0023
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0115 0.0142
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0123 0.0391 0.1941
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.044 0.1963 0.2414
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.011 0.0328 0.0303
Trichomonas vaginalis set domain proteins, putative 0.0255 0.1048 0.7376
Echinococcus granulosus geminin 0.0183 0.0688 0.35
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1776 0.8579 1
Echinococcus granulosus AMP dependent ligase 0.011 0.0328 0.1609
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0068 0.0118 0.0032
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0068 0.0118 0.0032
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.011 0.0328 0.2059
Toxoplasma gondii quinone oxidoreductase, putative 0.0068 0.0118 0.0148
Trypanosoma brucei acyl transferase-like protein 0.0069 0.0124 0.0053
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0115 0.0028
Brugia malayi AMP-binding enzyme family protein 0.1017 0.4819 0.4793
Mycobacterium tuberculosis Possible dehydrogenase 0.0068 0.0118 0.0032
Schistosoma mansoni sex comb on midleg homolog 0.0108 0.0317 0.0992
Mycobacterium ulcerans oxidoreductase 0.0068 0.0118 0.0032
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0342 0.1476 0.1759
Mycobacterium ulcerans thioesterase 0.0907 0.4275 0.5398
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0069 0.0128 0.0124
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0093 0.0042
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0068 0.0118 0.0067
Mycobacterium ulcerans polyketide synthase Pks13 0.1627 0.7839 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.061 0.069
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.011 0.0328 0.2059
Brugia malayi acetyltransferase, GNAT family protein 0.0162 0.0584 0.0535
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0123 0.0391 0.0342
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0051 0.0058
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.011 0.0328 0.0303
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0273 0.1136 0.2009
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0068 0.0118 0.059
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.1088 0.5174 0.6547
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.1156 0.5508 0.6991
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0876 0.412 0.5199
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0051 0.0156
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0139 0.047 0.0525
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0068 0.0118 0.059
Trypanosoma cruzi acyl transferase-like protein 0.0069 0.0124 0.0053
Loa Loa (eye worm) acetyltransferase 0.0162 0.0584 0.066
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0273 0.1136 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0069 0.0128 0.0558
Schistosoma mansoni hypothetical protein 0.0183 0.0688 0.2206
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0051 0.0036 0.0017
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.1156 0.5508 0.6991
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0071 0.0134 0.0391
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0273 0.1136 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.011 0.0328 0.0303
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0273 0.1136 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0093 0.0084
Plasmodium falciparum acyl carrier protein 0.011 0.0328 0.2016
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0068 0.0118 0.0032
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0273 0.1136 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0068 0.0118 0.0067
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0108 0.0317 0.0212
Leishmania major zinc-binding dehydrogenase-like protein 0.0068 0.0118 0.019
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.011 0.0328 0.0303
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.011 0.0328 0.0371
Loa Loa (eye worm) jmjC domain-containing protein 0.0074 0.0149 0.0169
Leishmania major hypothetical protein, conserved 0.0328 0.1407 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0123 0.0391 0.1234
Echinococcus granulosus histone acetyltransferase KAT2B 0.0152 0.0535 0.2699
Mycobacterium ulcerans oxidoreductase 0.0068 0.0118 0.0032
Loa Loa (eye worm) hypothetical protein 0.0071 0.0134 0.0151
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0068 0.0118 0.0134
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.011 0.0328 0.0271
Brugia malayi mbt repeat family protein 0.0108 0.0317 0.0267
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0068 0.0118 0.0148
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0068 0.0118 0.0032
Treponema pallidum acyl carrier protein 0.011 0.0328 0.5
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0068 0.0118 0.0508
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.011 0.0328 0.2059
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0876 0.412 0.5183
Loa Loa (eye worm) hypothetical protein 0.01 0.028 0.0316
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.0894 0.1012
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.011 0.0328 0.0303
Onchocerca volvulus 0.1894 0.9165 0.9643
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0115 0.0331
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.1156 0.5508 0.6991
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0123 0.0391 0.0432
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0068 0.0118 0.0032
Mycobacterium ulcerans acyl carrier protein 0.011 0.0328 0.0303
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0068 0.0118 0.0032
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0273 0.1136 0.1346
Schistosoma mansoni hypothetical protein 0.011 0.0328 0.1027
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.089 0.4191 0.5291
Brugia malayi PHD-finger family protein 0.006 0.0081 0.003
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0167 0.061 0.0667
Echinococcus granulosus lysine specific demethylase 5A 0.0074 0.0149 0.067
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0115 0.0493
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0068 0.0118 0.0113
Entamoeba histolytica acyl-CoA synthetase, putative 0.011 0.0328 1
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0167 0.061 0.0667
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1088 0.5174 0.6559
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0068 0.0118 0.0032
Onchocerca volvulus 0.0255 0.1048 0.0991
Plasmodium vivax hypothetical protein, conserved 0.016 0.0577 0.4909
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0068 0.0118 0.0032
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0876 0.412 0.5199
Loa Loa (eye worm) fatty acid synthase 0.1074 0.5102 0.5772
Mycobacterium ulcerans acyl carrier protein 0.011 0.0328 0.0303
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.011 0.0328 0.0303
Schistosoma mansoni acyl carrier protein 0.011 0.0328 0.1027
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0374 0.1636 0.1992
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0069 0.0124 0.0053
Echinococcus granulosus NADH dehydrogenase 0.011 0.0328 0.1609
Plasmodium vivax malonyl CoA-acyl carrier protein transacylase precursor, putative 0.0069 0.0124 0.0785
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0149 0.0441
Onchocerca volvulus Fatty acid synthase homolog 0.1962 0.95 1
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0068 0.0118 0.0032
Entamoeba histolytica acyl-CoA synthetase, putative 0.011 0.0328 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0115 0.0028
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0433 0.1926 0.2225
Chlamydia trachomatis acyl carrier protein 0.011 0.0328 0.2016
Brugia malayi Methyltransferase-like protein 4 0.0328 0.1407 0.1363
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0273 0.1136 0.1303
Brugia malayi AMP-binding enzyme family protein 0.0335 0.1441 0.1397
Plasmodium vivax acyl carrier protein, putative 0.011 0.0328 0.2643
Leishmania major d-xylulose reductase, putative 0.0068 0.0118 0.019
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.011 0.0328 0.0303
Mycobacterium leprae conserved hypothetical protein 0.011 0.0328 0.0271
Schistosoma mansoni jumonji domain containing protein 0.0069 0.0128 0.0371
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0273 0.1136 1
Brugia malayi jmjC domain containing protein 0.0069 0.0128 0.0077
Toxoplasma gondii type I fatty acid synthase 0.0167 0.061 0.1047
Mycobacterium ulcerans polyketide synthase 0.1088 0.5174 0.6559
Schistosoma mansoni [ACP] S-malonyltransferase 0.0069 0.0124 0.0358
Mycobacterium tuberculosis Hypothetical protein 0.0328 0.1407 0.1696
Mycobacterium ulcerans quinone oxidoreductase 0.0068 0.0118 0.0032
Schistosoma mansoni [ACP] S-malonyltransferase 0.0069 0.0124 0.0358
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0051 0.0036 0.007
Echinococcus multilocularis AMP dependent ligase 0.011 0.0328 0.0358
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1088 0.5174 0.6559
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0139 0.047 0.2358
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.072 0.3348 0.4201
Echinococcus multilocularis polycomb protein SCMH1 0.0108 0.0317 0.0346
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0273 0.1136 0.1286
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 0.0118 0.0032
Brugia malayi Bromodomain containing protein 0.0173 0.0642 0.0594
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0069 0.0124 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0328 0.1407 1
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.011 0.0328 0.0358
Onchocerca volvulus 0.0114 0.0349 0.0246
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0167 0.061 0.0637
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0068 0.0118 0.019
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0162 0.0584 0.0657
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0273 0.1136 0.1091
Schistosoma mansoni hypothetical protein 0.0336 0.1446 0.4691
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0068 0.0118 0.0032
Toxoplasma gondii type I fatty acid synthase, putative 0.1156 0.5508 1
Echinococcus granulosus polycomb protein SCMH1 0.0108 0.0317 0.1553
Mycobacterium ulcerans short-chain dehydrogenase 0.0072 0.0139 0.0059
Mycobacterium leprae Polyketide synthase Pks13 0.1627 0.7839 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0162 0.0584 0.1865
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.011 0.0328 0.0303
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.011 0.0328 0.0303
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.011 0.0328 0.0303
Echinococcus multilocularis NADH dehydrogenase 0.011 0.0328 0.0358
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0069 0.0124 0.0073
Mycobacterium ulcerans polyketide synthase MbtC 0.0273 0.1136 0.1346
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0273 0.1136 0.5854
Mycobacterium tuberculosis Probable thioesterase TesA 0.0907 0.4275 0.5398
Brugia malayi Alcohol dehydrogenase class III 0.0068 0.0118 0.0067
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0335 0.1441 0.1739
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0068 0.0118 0.0032
Mycobacterium ulcerans Type I modular polyketide synthase 0.1088 0.5174 0.6559
Mycobacterium tuberculosis Conserved protein 0.0328 0.1407 0.1696
Mycobacterium tuberculosis Polyketide synthase Pks13 0.1627 0.7839 1
Loa Loa (eye worm) mbt repeat family protein 0.0108 0.0317 0.0359
Brugia malayi Bromodomain containing protein 0.009 0.0231 0.0181
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0134
Echinococcus multilocularis snurportin 1 0.0336 0.1446 0.1665
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.011 0.0328 0.0303
Schistosoma mansoni sex comb on midleg homolog 0.0108 0.0317 0.0992
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0068 0.0118 0.0067
Mycobacterium ulcerans quinone reductase Qor 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0068 0.0118 0.0032
Echinococcus granulosus fetal alzheimer antigen falz 0.0051 0.0036 0.0075
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.011 0.0328 0.0223
Brugia malayi Pre-SET motif family protein 0.0224 0.0894 0.0848
Leishmania major zinc binding dehydrogenase-like protein 0.0068 0.0118 0.019
Mycobacterium tuberculosis Polyketide synthase Pks2 0.1055 0.5008 0.6345
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0134
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0108 0.0317 0.0992
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.1156 0.5508 0.6981
Giardia lamblia Methyltransferase like 2 0.0328 0.1407 0.5
Schistosoma mansoni alcohol dehydrogenase 0.0068 0.0118 0.034
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.072 0.3348 0.4183
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0336 0.1446 0.1636
Mycobacterium ulcerans Type I modular polyketide synthase 0.1088 0.5174 0.6559
Brugia malayi Phosphopantetheine attachment site family protein 0.011 0.0328 0.0278
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0134
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.011 0.0328 0.0303
Echinococcus granulosus acyl carrier protein mitochondrial 0.011 0.0328 0.1609
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.055 0.2507 0.4515
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0068 0.0118 0.0032
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0115 0.0028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0051 0.0035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0051 0.0156
Toxoplasma gondii type I fatty acid synthase, putative 0.0775 0.362 0.6549
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0619 0.2848 0.3556
Trypanosoma cruzi acyl transferase-like protein, putative 0.0069 0.0124 0.0053
Mycobacterium ulcerans polyketide synthase MbtD 0.0335 0.1441 0.1739
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.1088 0.5174 0.6547
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0273 0.1136 0.3675
Loa Loa (eye worm) hypothetical protein 0.061 0.2803 0.3172
Mycobacterium ulcerans fatty acid synthase Fas 0.0342 0.1476 0.1786
Loa Loa (eye worm) MBCTL1 0.0123 0.0391 0.0442
Brugia malayi jmjC domain containing protein 0.0074 0.0149 0.0098
Schistosoma mansoni methyltransferase-related 0.0328 0.1407 0.4563
Mycobacterium tuberculosis Possible dehydrogenase 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.011 0.0328 0.0303
Mycobacterium ulcerans oxidoreductase FadB5 0.0068 0.0118 0.0032
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0706 0.328 0.5927
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.011 0.0328 0.0271
Mycobacterium tuberculosis Conserved hypothetical protein 0.011 0.0328 0.0303
Echinococcus granulosus histone acetyltransferase MYST2 0.0123 0.0391 0.1941
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.1627 0.7839 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0167 0.061 0.0667
Loa Loa (eye worm) PHD-finger family protein 0.0047 0.0014 0.0016

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 858 nM Antiparasitic activity against Plasmodium falciparum K1 ChEMBL. 20031421
IC50 (functional) = 8723 nM Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 ChEMBL. 20031421

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense 20031421
Plasmodium falciparum 20031421

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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